N-(1,1-Dimethylethyl)-beta-[(methylsulfonyl)oxy]-2-nitrobenzeneethanesulfonamide

Base Information

Chemical Name:N-(1,1-Dimethylethyl)-beta-[(methylsulfonyl)oxy]-2-nitrobenzeneethanesulfonamide
CAS No.:89557-04-0
Molecular Formula:C13H20N2O7S2
Molecular Weight:380.443
Hs Code.:
DSSTox Substance ID:DTXSID201140318

Synonyms:DTXSID201140318;N-(1,1-Dimethylethyl)-beta-[(methylsulfonyl)oxy]-2-nitrobenzeneethanesulfonamide;89557-04-0

Suppliers and Price of N-(1,1-Dimethylethyl)-beta-[(methylsulfonyl)oxy]-2-nitrobenzeneethanesulfonamide

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 0 raw suppliers

Chemical Property of N-(1,1-Dimethylethyl)-beta-[(methylsulfonyl)oxy]-2-nitrobenzeneethanesulfonamide

Chemical Property:

XLogP3:1.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:7
Exact Mass:380.07119333
Heavy Atom Count:24
Complexity:636

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)(C)NS(=O)(=O)CC(C1=CC=CC=C1[N+](=O)[O-])OS(=O)(=O)C

Technology Process of N-(1,1-Dimethylethyl)-beta-[(methylsulfonyl)oxy]-2-nitrobenzeneethanesulfonamide

There total 2 articles about N-(1,1-Dimethylethyl)-beta-[(methylsulfonyl)oxy]-2-nitrobenzeneethanesulfonamide which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 82.0%

: 89557-01-7
N-tert-butyl-2-(o-nitrophenyl)-2-hydroxyethanesulfonamide

: 124-63-0
methanesulfonyl chloride

: 89557-04-0
Methanesulfonic acid 2-tert-butylsulfamoyl-1-(2-nitro-phenyl)-ethyl ester

Guidance literature:: With triethylamine; In dichloromethane; 1) 0 deg C, 30 min 2) r.t., 5 h;
DOI:10.1021/jo00184a006

Reference yield:

: 2512-23-4
N-(t-butyl)-methanesulfonamide

: 89557-04-0
Methanesulfonic acid 2-tert-butylsulfamoyl-1-(2-nitro-phenyl)-ethyl ester

Guidance literature:: Multi-step reaction with 3 steps

1: LDA / tetrahydrofuran / 0.75 h / -78 - -30 °C

2: 2) H₃O+

3: 82 percent / NEt₃ / CH₂Cl₂ / 1) 0 deg C, 30 min 2) r.t., 5 h

With oxonium; triethylamine; lithium diisopropyl amide; In tetrahydrofuran; dichloromethane;
DOI:10.1021/jo00184a006